Class molecule (event/events/molecule.h)

Overview

Class molecule represents the collision of two molecules as an object-oriented event.

Interface

Constructor

• molecule(:: molecule & molecule_alpha, const int & fold, :: molecule & molecule_beta, const double & elasticity = 1.)

  builds a collision event with the given elements and verifies whether the collision will happen or not. If it happens, it will be a collision with the given elasticity. (fold indicates the standard translation to be considered for molecule_alpha, following the standard given in vec.md)

Getters

• bool happens() const

  returns whether the event will happen or not.

• double time() const

  returns when the event will happen.

• const & alpha() const

  returns the first molecule involved in the collision.

• const & beta() const

  returns the second molecule involved in the collision.

Public Methods

• virtual bool current()

  returns whether the involved elements are in the correct version or not.

• virtual vool resolve()

  executes the event with its dynamical consequences.

• virtual void each(engine * engine, void (engine :: *callback)(molecule &, const size_t &))

  given the working engine and a method of the engine that takes as argument a molecule & and a const size_t &, executes the given method to each molecule involved in the event. (In this case, two molecules are involved)

• virtual void callback(dispatcher & dispatcher)

  given the engine’s main dispatcher, executes the dispatcher’s trigger for the event, which will execute the corrispondent requested reports, if any.

Private elements and methods

Settings

time_epsilon sets the epsilon sensitivity to be used in certain parts of the computation.

Private methods

• double collision(const :: molecule & alpha, const size_t & index_alpha, const :: molecule & beta, const size_t & index_beta, const double & beg, const double & end, const int & fold)

  Given two molecules, indexes of the two atoms under analysis, the time frame under inspection and the eventual translational fold to keep under consideration, checks if the two molecules will collide and returns the collision time if the answer is positive. Returns NaN if it’s negative.

Static inline methods

• vec position(const :: molecule & molecule, const size_t & index, const int & fold)

  Inline method for quickly obtain the atom of the given index coordinates in the engine’s reference system at its current time.

• vec position(const :: molecule & molecule, const size_t & index, const double & time, const int & fold)

  Inline method for quickly obtain the atom of the given index coordinates in the engine’s reference system at a given time.